* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    160    255     465
    1     0 S   NP   _N1_     1    29.00560    92.54094   -20.38843
    2     1 S   H    _HN1     2     1.02781    83.73858   -72.95328
    3     1 S   H    _H1_     3     1.02956   106.27192    34.33124
    4     1 S   H    _H2_     4     1.02835    26.25553   130.13124
    5     1 S   CT   _CA1     5     1.50091   131.74462   172.76983
    6     5 S   HC   _HA1     6     1.09569   105.30340    40.63175
    7     5 S   CO3  _C1_     7     1.53886   112.21926   -79.73261
    8     7 S   O2Z  _O11     8     1.26363   115.04266   -47.54387
    9     7 S   O2Z  _O12     9     1.26234   114.92677   131.62788
   10     5 S   CT   _CB1    10     1.53089   107.42899   158.60868
   11    10 S   HC   HB11    11     1.09815   109.62025   -49.78036
   12    10 S   HC   HB12    12     1.09830   110.33069    66.85203
   13    10 S   CT   _CG1    13     1.52970   112.51467  -170.86729
   14    13 S   HC   HG11    14     1.09526   110.28920   -57.05311
   15    13 S   HC   HG12    15     1.09614   110.24069    62.02556
   16    13 S   C    _CD1    16     1.51762   112.02659  -177.71612
   17    16 S   O    _OE1    17     1.22736   123.14496   -16.02209
   18    16 S   N    _N2_    18     1.38529   111.67651   164.55049
   19    18 S   H    _HN2    19     1.01590   119.01356     2.14822
   20    18 S   CT1  _CA2    20     1.46325   123.57951  -176.77056
   21    20 S   HC   _HA2    21     1.09724   109.40987   -14.29323
   22    20 S   C    _C2_    22     1.53330   107.94649  -129.98376
   23    22 S   O    _O2_    23     1.22963   122.62704  -145.97350
   24    20 S   CT   _CB2    32     1.53514   111.02675   107.79811
   25    24 S   HC   HB21    33     1.09481   109.13114    55.38389
   26    24 S   HC   HB22    34     1.09467   110.78766   174.03018
   27    22 S   N    _N3_    24     1.38470   113.30121    41.43524
   28    27 S   H    _HN3    25     1.01652   119.46846    -3.68228
   29    24 S   S    _SG2    35     1.82981   111.11550   -66.50908
   30    27 S   CT   _CA3    26     1.45288   123.02010   176.94738
   31    30 S   HC   HA31    27     1.09555   107.52914   -63.41229
   32    30 S   HC   HA32    28     1.09562   107.92335    52.96501
   33    29 S   CT   _C21    36     1.84595   101.01624   147.64881
   34    33 S   HC   _H7_    37     1.09206   107.92000   -15.74002
   35    30 S   CO3  _C3_    29     1.52915   114.20403   174.93771
   36    35 S   O2Z  _O31    30     1.26356   116.07153    -1.10765
   37    35 S   O2Z  _O32    31     1.26436   114.41583   178.96052
   38    33 S   CM   _C13    38     1.53360   109.09600   103.44069
   39    33 S   CT   _C6_    54     1.55561   112.70854  -130.57668
   40    39 S   HC   _H3_    55     1.10100   106.66384   172.65054
   41    38 S   CT   _C9_    39     1.53270   116.46848    86.75094
   42    41 S   HC   _H5_    40     1.10081   108.89681   151.10861
   43    39 S   CT   _C5_    56     1.54651   115.38751    54.89259
   44    43 S   HC   _H11    57     1.09780   108.53376   178.81799
   45    43 S   HC   _H12    58     1.09563   111.17495   -65.12775
   46    38 S   CMA  _C14    63     1.37163   123.75546   -96.20152
   47    46 S   OM   _O36    64     1.26356   127.73908  -177.13399
   48    41 S   CT   _C10    41     1.53549   114.76683   -89.68333
   49    48 S   HC   _H15    42     1.09416   111.97607    51.18616
   50    48 S   HC   _H16    43     1.09485   112.34518   -70.05440
   51    43 S   CT   _C4_    59     1.52186   113.82413    59.09835
   52    51 S   HC   _H8_    60     1.09276   111.79290   -67.93475
   53    51 S   HC   _H9_    61     1.09478   109.97923   172.77192
   54    51 S   HC   _H10    62     1.09445   111.03563    53.38988
   55    46 S   NE   _N4_    65     1.39889   120.64978     4.00736
   56    55 S   H    _H19    66     1.01045   116.24156     8.12937
   57    48 S   CT   _C11    44     1.52418   104.25339   169.17858
   58    57 S   HC   _H17    45     1.09201   111.84803  -151.72739
   59    57 S   HC   _H18    46     1.09363   111.49531    83.46869
   60    55 S   C3T  _C15    67     1.49112   127.26392   177.39135
   61    57 S   CO4  _C12    47     1.50655   101.91531   -32.69442
   62    61 S   O    _O33    48     1.22506   123.60687  -166.42585
   63    60 S   C3T  _C16    68     1.52283   120.49551    70.44710
   64    63 S   HC   _H20    69     1.08425   118.04224    -4.38785
   65    63 S   HC   _H21    70     1.08376   118.70189  -147.80323
   66    60 S   CO3  _C20    80     1.48940   114.86004   -81.45108
   67    66 S   O2Z  _O35    81     1.27540   117.36080   -59.63741
   68    66 S   O2Z  _O34    82     1.27502   118.69985   120.87622
   69    41 S   CT   _C8_    49     1.53719   116.41282    32.52521
   70    69 S   HC   _H4_    50     1.09628   109.76036    86.38758
   71    60 S   C3T  _C17    71     1.53737   115.78892   137.63866
   72    71 S   HC   _H6_    72     1.08595   117.48860    -5.64747
   73    69 S   CT   _C7_    51     1.52009   114.58711   -39.02760
   74    73 S   HC   _H13    52     1.09792   108.59903   172.90671
   75    73 S   HC   _H14    53     1.09723   111.15565   -71.42837
   76    71 S   CT   _C18    73     1.49911   123.72148   141.26944
   77    76 S   HC   _H22    74     1.09551   111.72595    30.23293
   78    76 S   HC   _H23    75     1.09640   108.54832   147.45805
   79    76 S   CT   _C19    76     1.52073   111.52618   -92.71806
   80    79 S   HC   _H24    77     1.09512   110.93395   -59.67022
   81    79 S   HC   _H25    78     1.09433   110.36216  -179.51302
   82    79 S   HC   _H26    79     1.09407   111.37187    60.21054
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  18   7   2   1   1  18  16   8  17   9  10   6   5   9   3  10
   6   5   4   2   1   1  11   4   7   4   3  12   6   3  11   5
   4   5   2   1   4   3   8   4   2   1   1   6   5   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    73    39    40    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    48    69    73    74    75    39    40    43    44    45    51    46    47    55  
   38    41    73    39    40    43    46  
   36    37  
   37  
    0  
   41    42    48    49    50    57    61    69    70    73    39    40    43    46    47    55    56    60  
   40    43    44    45    51    52    53    54    46    41    61    69    70    73    74    75  
   43    44    45    51    69    73    74    75  
   42    48    49    50    57    58    59    61    62    69    70    73    74    75    46    47    55  
   48    49    50    57    61    69    70    73    46  
   44    45    51    52    53    54    69    73    74    75  
   45    51    52    53    54    73  
   51    52    53    54    73  
   47    55    56    60    63    71    66    48    69  
   55    56    60  
   49    50    57    58    59    61    62    69    70    73  
   50    57    58    59    61    69  
   57    58    59    61    69  
   52    53    54    73  
   53    54  
   54  
    0  
   56    60    63    64    65    71    72    76    66    67    68  
   60    63    71    66  
   58    59    61    62    69    70    73  
   59    61    62    69  
   61    62    69  
   63    64    65    71    72    76    77    78    79    66    67    68  
   62    69    70    73    74    75  
   69    70    73  
   64    65    71    72    76    77    78    79    66    67    68  
   65    71    72    76    66  
   71    72    76    66  
   67    68    71    72    76  
   68    71  
   71  
   70    73    74    75  
   73    74    75  
   72    76    77    78    79    80    81    82  
   76    77    78    79  
   74    75  
   75  
    0  
   77    78    79    80    81    82  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.2500   0.1700  -0.998700   1.8650   1.6500   0.051222218  -2.220205820
   56   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.122500   1.9750   1.7500   0.005000000  -0.741685710
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   317.000  1.510
   38    46   465.000  1.376
   41    42   340.000  1.090
   41    48   268.000  1.529
   41    69   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   317.000  1.522
   61    62   570.000  1.229
   61    69   317.000  1.522
   69    70   340.000  1.090
   69    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    39   268.000  1.529
   39    40   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   46    47   745.000  1.250
   46    55   415.000  1.382
   55    56   434.000  1.010
   55    60   382.000  1.448
   60    63   260.000  1.509
   60    71   260.000  1.509
   60    66   317.000  1.522
   63    64   340.000  1.088
   63    65   340.000  1.088
   63    71   260.000  1.509
   71    72   340.000  1.088
   71    76   275.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   66    67   656.000  1.250
   66    68   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    65.00000  117.92700
   33    38    46    70.00000  124.00000
   33    39    73    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  109.50000
   38    41    48    70.00000  112.02700
   38    41    69    70.00000  112.02700
   38    46    47    65.00000  137.10300
   38    46    55    75.00000  114.40000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    57    58.35000  112.70000
   41    69    61    63.00000  111.10000
   41    69    70    37.50000  110.70000
   41    69    73    58.35000  112.70000
   48    41    42    37.50000  110.70000
   48    57    58    37.50000  110.70000
   48    57    59    37.50000  110.70000
   48    57    61    63.00000  111.10000
   50    48    49    33.00000  107.80000
   57    48    49    37.50000  110.70000
   57    48    50    37.50000  110.70000
   57    61    62    80.00000  120.40000
   57    61    69    70.00000  116.00000
   59    57    58    33.00000  107.80000
   61    57    58    35.00000  109.50000
   61    57    59    35.00000  109.50000
   61    69    70    35.00000  109.50000
   61    69    73    63.00000  111.10000
   69    41    42    37.50000  110.70000
   69    41    48    58.35000  112.70000
   69    61    62    80.00000  120.40000
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    73    39    58.35000  112.70000
   73    69    70    37.50000  110.70000
   73    39    40    37.50000  110.70000
   73    39    43    58.35000  112.70000
   75    73    74    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    73    74    37.50000  110.70000
   39    73    75    37.50000  110.70000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    51    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    51    52    37.50000  110.70000
   43    51    53    37.50000  110.70000
   43    51    54    37.50000  110.70000
   45    43    44    33.00000  107.80000
   51    43    44    37.50000  110.70000
   51    43    45    37.50000  110.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   46    38    41    70.00000  124.00000
   46    55    56    50.00000  121.48000
   46    55    60    50.00000  121.00000
   55    46    47   105.00000  113.92000
   55    60    63    70.00000  118.23000
   55    60    71    70.00000  118.23000
   55    60    66    70.00000  113.51500
   60    55    56    35.00000  112.50000
   60    63    64    37.50000  117.20000
   60    63    65    37.50000  117.20000
   60    63    71    10.00000   60.00500
   60    71    63    10.00000   60.00500
   60    71    72    37.50000  117.20000
   60    71    76    60.00000  120.94000
   60    66    67    70.00000  117.00000
   60    66    68    70.00000  117.00000
   63    71    72    37.50000  117.20000
   63    71    76    60.00000  120.94000
   65    63    64    35.00000  114.30000
   71    60    63    10.00000   60.00500
   71    63    64    37.50000  117.20000
   71    63    65    37.50000  117.20000
   71    76    77    45.00000  109.38400
   71    76    78    45.00000  109.38400
   71    76    79    70.00000  112.37300
   76    71    72    40.00000  115.04500
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   66    60    63    65.00000  116.19300
   66    60    71    65.00000  116.19300
   68    66    67    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    38    46   0.42700  1.0 1.0
   29    33    38    46  -0.70350 -1.0 2.0
   29    33    38    46  -0.43150  1.0 3.0
   29    33    39    73   0.44750  1.0 1.0
   29    33    39    73  -0.17800 -1.0 2.0
   29    33    39    73   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    48   0.46850  1.0 1.0
   33    38    41    48   0.08550 -1.0 2.0
   33    38    41    48   0.09800  1.0 3.0
   33    38    41    69   0.46850  1.0 1.0
   33    38    41    69   0.08550 -1.0 2.0
   33    38    41    69   0.09800  1.0 3.0
   33    38    46    47   7.00000 -1.0 2.0
   33    38    46    55   7.00000 -1.0 2.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    51   0.56750  1.0 1.0
   33    39    43    51  -0.07550 -1.0 2.0
   33    39    43    51   0.20000  1.0 3.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    38    46   0.00000  1.0 1.0
   34    33    39    73   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   38    33    39    73   0.34400  1.0 1.0
   38    33    39    73   0.09450 -1.0 2.0
   38    33    39    73   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   0.34400  1.0 1.0
   38    33    39    43   0.09450 -1.0 2.0
   38    33    39    43   0.11100  1.0 3.0
   38    41    48    49   0.15000  1.0 3.0
   38    41    48    50   0.15000  1.0 3.0
   38    41    48    57   0.34400  1.0 1.0
   38    41    48    57   0.09450 -1.0 2.0
   38    41    48    57   0.11100  1.0 3.0
   38    41    69    61  -0.98800  1.0 1.0
   38    41    69    61   0.48800 -1.0 2.0
   38    41    69    61   0.76800  1.0 3.0
   38    41    69    70   0.15000  1.0 3.0
   38    41   -69    73   0.34400  1.0 1.0
   38    41   -69    73   0.09450 -1.0 2.0
   38    41   -69    73   0.11100  1.0 3.0
   38    46    55    56   1.00000 -1.0 2.0
   38    46    55    60  -0.54700  1.0 1.0
   38    46    55    60   1.23000 -1.0 2.0
   41    38    46    47   7.00000 -1.0 2.0
   41    38    46    55   7.00000 -1.0 2.0
   41    48    57    58   0.15000  1.0 3.0
   41    48    57    59   0.15000  1.0 3.0
   41    48   -57    61  -0.95700  1.0 1.0
   41    48   -57    61  -0.18200 -1.0 2.0
   41    48   -57    61   0.29450  1.0 3.0
   41    69    73    74   0.15000  1.0 3.0
   41    69    73    75   0.15000  1.0 3.0
   41    69    73    39   0.56750  1.0 1.0
   41    69    73    39  -0.07550 -1.0 2.0
   41    69    73    39   0.20000  1.0 3.0
   42    41    48    49   0.15000  1.0 3.0
   42    41    48    50   0.15000  1.0 3.0
   42    41    48    57   0.15000  1.0 3.0
   42    41    69    61  -0.11250  1.0 3.0
   42    41    69    70   0.15000  1.0 3.0
   42    41    69    73   0.15000  1.0 3.0
   48    41   -69    61  -0.95700  1.0 1.0
   48    41   -69    61  -0.18200 -1.0 2.0
   48    41   -69    61   0.29450  1.0 3.0
   48    41    69    70   0.15000  1.0 3.0
   48    41    69    73   0.56750  1.0 1.0
   48    41    69    73  -0.07550 -1.0 2.0
   48    41    69    73   0.20000  1.0 3.0
   48    57    61    62   0.30150 -1.0 2.0
   48    57   -61    69   0.60050  1.0 1.0
   48    57   -61    69   0.05600 -1.0 2.0
   48    57   -61    69   0.26150  1.0 3.0
   49    48    57    58   0.15000  1.0 3.0
   49    48    57    59   0.15000  1.0 3.0
   49    48    57    61  -0.11250  1.0 3.0
   50    48    57    58   0.15000  1.0 3.0
   50    48    57    59   0.15000  1.0 3.0
   50    48    57    61  -0.11250  1.0 3.0
   57    61   -69    41   0.60050  1.0 1.0
   57    61   -69    41   0.05600 -1.0 2.0
   57    61   -69    41   0.26150  1.0 3.0
   57    61    69    70   0.00000  1.0 1.0
   57    61    69    73   0.60050  1.0 1.0
   57    61    69    73   0.05600 -1.0 2.0
   57    61    69    73   0.26150  1.0 3.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    69   0.00000  1.0 1.0
   59    57    61    62   0.00000  1.0 1.0
   59    57    61    69   0.00000  1.0 1.0
   61    69    73    74  -0.11250  1.0 3.0
   61    69    73    75  -0.11250  1.0 3.0
   61    69    73    39  -0.95700  1.0 1.0
   61    69    73    39  -0.18200 -1.0 2.0
   61    69    73    39   0.29450  1.0 3.0
   62    61    69    41   0.30150 -1.0 2.0
   62    61    69    70   0.00000  1.0 1.0
   62    61    69    73   0.30150 -1.0 2.0
   69    41    48    49   0.15000  1.0 3.0
   69    41    48    50   0.15000  1.0 3.0
   69    41   -48    57   0.56750  1.0 1.0
   69    41   -48    57  -0.07550 -1.0 2.0
   69    41   -48    57   0.20000  1.0 3.0
   69    73   -39    33   0.56750  1.0 1.0
   69    73   -39    33  -0.07550 -1.0 2.0
   69    73   -39    33   0.20000  1.0 3.0
   69    73    39    40   0.15000  1.0 3.0
   69    73    39    43   0.56750  1.0 1.0
   69    73    39    43  -0.07550 -1.0 2.0
   69    73    39    43   0.20000  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    75   0.15000  1.0 3.0
   70    69    73    39   0.15000  1.0 3.0
   73    39    43    44   0.15000  1.0 3.0
   73    39    43    45   0.15000  1.0 3.0
   73    39    43    51   0.56750  1.0 1.0
   73    39    43    51  -0.07550 -1.0 2.0
   73    39    43    51   0.20000  1.0 3.0
   74    73    39    33   0.15000  1.0 3.0
   74    73    39    40   0.15000  1.0 3.0
   74    73    39    43   0.15000  1.0 3.0
   75    73    39    33   0.15000  1.0 3.0
   75    73    39    40   0.15000  1.0 3.0
   75    73    39    43   0.15000  1.0 3.0
   39    33   -38    41   0.46850  1.0 1.0
   39    33   -38    41   0.08550 -1.0 2.0
   39    33   -38    41   0.09800  1.0 3.0
   39    33    38    46   0.09850  1.0 1.0
   39    33    38    46   0.15250 -1.0 2.0
   39    33    38    46  -0.50650  1.0 3.0
   39    43    51    52   0.15000  1.0 3.0
   39    43    51    53   0.15000  1.0 3.0
   39    43    51    54   0.15000  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    51   0.15000  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    53   0.15000  1.0 3.0
   44    43    51    54   0.15000  1.0 3.0
   45    43    51    52   0.15000  1.0 3.0
   45    43    51    53   0.15000  1.0 3.0
   45    43    51    54   0.15000  1.0 3.0
   46    38    41    42   0.00000  1.0 1.0
   46    38    41    48   0.09850  1.0 1.0
   46    38    41    48   0.15250 -1.0 2.0
   46    38    41    48  -0.50650  1.0 3.0
   46    38    41    69   0.09850  1.0 1.0
   46    38    41    69   0.15250 -1.0 2.0
   46    38    41    69  -0.50650  1.0 3.0
   46    55    60    63   0.25450  1.0 1.0
   46    55    60    63  -0.61700 -1.0 2.0
   46    55    60    63  -0.23550  1.0 3.0
   46    55    60    71   0.25450  1.0 1.0
   46    55    60    71  -0.61700 -1.0 2.0
   46    55    60    71  -0.23550  1.0 3.0
   46    55    60    66  -0.12500  1.0 1.0
   46    55    60    66  -0.12500 -1.0 2.0
   46    55    60    66   0.25000  1.0 3.0
   47    46    55    56   1.00000 -1.0 2.0
   47    46    55    60   1.00000 -1.0 2.0
   55    60    63    64   0.22950  1.0 3.0
   55    60    63    65   0.22950  1.0 3.0
   55    60   -63    71   1.26750  1.0 1.0
   55    60   -63    71  -0.00950 -1.0 2.0
   55    60   -63    71   0.30600  1.0 3.0
   55    60   -71    63   1.26750  1.0 1.0
   55    60   -71    63  -0.00950 -1.0 2.0
   55    60   -71    63   0.30600  1.0 3.0
   55    60    71    72   0.22950  1.0 3.0
   55    60    71    76   1.26750  1.0 1.0
   55    60    71    76  -0.00950 -1.0 2.0
   55    60    71    76   0.30600  1.0 3.0
   55    60    66    67   0.00000  1.0 1.0
   55    60    66    68   0.00000  1.0 1.0
   56    55    60    63   0.00000  1.0 1.0
   56    55    60    71   0.00000  1.0 1.0
   56    55    60    66   0.00000  1.0 1.0
   60    63   -71    72   0.15000  1.0 3.0
   60    63   -71    76   0.07850  1.0 1.0
   60    63   -71    76  -0.03950 -1.0 2.0
   60    63   -71    76   0.67350  1.0 3.0
   60    71    76    77   0.15000  1.0 3.0
   60    71    76    78   0.15000  1.0 3.0
   60    71    76    79   0.07850  1.0 1.0
   60    71    76    79  -0.03950 -1.0 2.0
   60    71    76    79   0.67350  1.0 3.0
   63    60   -71    72   0.15000  1.0 3.0
   63    60   -71    76   0.07850  1.0 1.0
   63    60   -71    76  -0.03950 -1.0 2.0
   63    60   -71    76   0.67350  1.0 3.0
   63    60    66    67   0.41150 -1.0 2.0
   63    60    66    68   0.41150 -1.0 2.0
   63    71    76    77   0.15000  1.0 3.0
   63    71    76    78   0.15000  1.0 3.0
   63    71    76    79   0.07850  1.0 1.0
   63    71    76    79  -0.03950 -1.0 2.0
   63    71    76    79   0.67350  1.0 3.0
   64    63   -71    60   0.15000  1.0 3.0
   64    63    71    72   0.15000  1.0 3.0
   64    63    71    76   0.15000  1.0 3.0
   65    63   -71    60   0.15000  1.0 3.0
   65    63    71    72   0.15000  1.0 3.0
   65    63    71    76   0.15000  1.0 3.0
   71    60   -63    64   0.15000  1.0 3.0
   71    60   -63    65   0.15000  1.0 3.0
   71    60    66    67   0.41150 -1.0 2.0
   71    60    66    68   0.41150 -1.0 2.0
   71    76    79    80   0.15000  1.0 3.0
   71    76    79    81   0.15000  1.0 3.0
   71    76    79    82   0.15000  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    79   0.15000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.15000  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82   0.15000  1.0 3.0
   66    60    63    64   0.15000  1.0 3.0
   66    60    63    65   0.15000  1.0 3.0
   66    60   -63    71  -1.63150  1.0 1.0
   66    60   -63    71  -0.43550 -1.0 2.0
   66    60   -63    71   0.24500  1.0 3.0
   66    60   -71    63  -1.63150  1.0 1.0
   66    60   -71    63  -0.43550 -1.0 2.0
   66    60   -71    63   0.24500  1.0 3.0
   66    60    71    72   0.15000  1.0 3.0
   66    60    71    76  -1.63150  1.0 1.0
   66    60    71    76  -0.43550 -1.0 2.0
   66    60    71    76   0.24500  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    46   1.10000 -1.0 2.0
   57    69    61    62  10.50000 -1.0 2.0
   55    47    46    38   1.10000 -1.0 2.0
   56    46    55    60   1.00000 -1.0 2.0
   67    60    66    68  10.50000 -1.0 2.0
END
